(3,3-dimethylpiperidin-1-yl)(6-(3-fluoro-4-methylphenyl)pyridin-2-yl)methanone
Thuốc Gốc
Small Molecule
CTHH: C20H23FN2O
PTK: 326.4078
Nhận Dạng Quốc Tế & Đặc Tính Hóa Học
Công thức hóa học
Phân tử khối
326.4078
Monoisotopic mass
326.179441573
InChI
InChI=1S/C20H23FN2O/c1-14-8-9-15(12-16(14)21)17-6-4-7-18(22-17)19(24)23-11-5-10-20(2,3)13-23/h4,6-9,12H,5,10-11,13H2,1-3H3
InChI Key
InChIKey=SIDDLTBLAQYZIZ-UHFFFAOYSA-N
IUPAC Name
2-[(3,3-dimethylpiperidin-1-yl)carbonyl]-6-(3-fluoro-4-methylphenyl)pyridine
Traditional IUPAC Name
2-[(3,3-dimethylpiperidin-1-yl)carbonyl]-6-(3-fluoro-4-methylphenyl)pyridine
SMILES
CC1=CC=C(C=C1F)C1=NC(=CC=C1)C(=O)N1CCCC(C)(C)C1
Độ hòa tan
2.00e-02 g/l
logP
4.72
logS
-4.2
pKa (Strongest Basic)
0.4
PSA
33.2 Å2
Refractivity
93.43 m3·mol-1
Polarizability
36.19 Å3
Rotatable Bond Count
2
H Bond Acceptor Count
2
H Bond Donor Count
0
Physiological Charge
0
Number of Rings
3
Bioavailability
1
Rule of Five
true
Ghose Filter
true
Tài Liệu Tham Khảo Thêm
drugbank
PubChem Compound
PubChem Substance
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